From the 1 of 6.1k papers with an AI index.
- RWTH Aachen UniversityDE1.1k papers
- Jülich Aachen Research AllianceDE848 papers
- University of BonnDE837 papers
- Centre National de la Recherche ScientifiqueFR515 papers
- Deutsches Elektronen-Synchrotron DESYDE371 papers
- University of WuppertalDE329 papers
- Universität HamburgDE293 papers
- Jagiellonian UniversityPL292 papers
- Institute of Nuclear Physics, Polish Academy of SciencesPL288 papers
- Istituto Nazionale di Fisica Nucleare, Sezione di TorinoIT277 papers
- Université Paris-SaclayFR275 papers
- Jülich Supercomputing CentreDE268 papers
17 papers · 2 filters
Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method
Christoph Friedrich, Arno Schindlmayr, Stefan Bluegel
We derive formulas for the Coulomb matrix within the full-potential linearized augmented-plane-wave (FLAPW) method. The Coulomb matrix is a central ingredient in implementations of…
Role of tip size, orientation, and structural relaxations in first-principles studies of magnetic exchange force microscopy and spin-polarized scanning tunneling microscopy
C. Lazo, V. Caciuc H. Hoelscher, S. Heinze
Using first-principles calculations based on density functional theory (DFT), we investigate the exchange interaction between a magnetic tip and a magnetic sample which is detected…
Tuning the magnetic properties of half-metallic semi-Heusler alloys by sp-electron substitution: The case of AuMnSnSb quaternary alloys
K. Ozdogan, I. Galanakis, E. Sasioglu
We study the electronic and magnetic properties of the quaternary AuMnSnSb Heusler alloys using first principles calculations. We determine their magnetic phase diagr…
Polarization dependent interface properties of ferroelectric Schottky barriers studied by soft X-ray absorption spectroscopy
H. Kohlstedt, A. Petraru, M. Meier J. Denlinger +11
We applied soft X-ray absorption spectroscopy to study the Ti L-edge in ferroelectric capacitors using a modified total electron yield method. The inner photo currents and the X-ra…
Spin injection from Fe into Si(001): ab initio calculations and role of the Si complex band structure
Phivos Mavropoulos
We study the possibility of spin injection from Fe into Si(001), using the Schottky barrier at the Fe/Si contact as tunneling barrier. Our calculations are based on density-functio…
Maximally Localized Wannier Functions within the FLAPW formalism
F. Freimuth, Y. Mokrousov, D. Wortmann +2
We report on the implementation of the Wannier Functions (WFs) formalism within the full-potential linearized augmented plane wave method (FLAPW), suitable for bulk, film and one-d…